5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine

C14H16BrFN4 — CID 66087861

IUPAC5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1C1CCN2CCCC12
InChIInChI=1S/C14H16BrFN4/c15-8-6-10-13(7-9(8)16)20(14(17)18-10)12-3-5-19-4-1-2-11(12)19/h6-7,11-12H,1-5H2,(H2,17,18)
InChIKeyXEPQVUNSZONMNU-UHFFFAOYSA-N
MW339.21 g/mol
LogP2.93
Rot. Bonds1

About 5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine

5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine (PubChem CID 66087861) has the molecular formula C14H16BrFN4 and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine
PubChem CID66087861
Molecular FormulaC14H16BrFN4
Molecular Weight339.21 g/mol
Exact Mass338.05
IUPAC Name5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1C1CCN2CCCC12
InChIInChI=1S/C14H16BrFN4/c15-8-6-10-13(7-9(8)16)20(14(17)18-10)12-3-5-19-4-1-2-11(12)19/h6-7,11-12H,1-5H2,(H2,17,18)
InChIKeyXEPQVUNSZONMNU-UHFFFAOYSA-N
XLogP2.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077934
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66088621
6-bromo-2-(chloromethyl)-5-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole
CID 116738926
1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine
CID 66088063
5-bromo-6-fluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720509
5-bromo-6-fluoro-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
CID 66086694
6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 116738177
5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine
CID 107853135
4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one
CID 114155594
5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66085937
2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-iodobenzimidazole
CID 66094672

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine (CID 66087861) is 5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1C1CCN2CCCC12.
What is the InChIKey of 5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine?
The InChIKey is XEPQVUNSZONMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4/c15-8-6-10-13(7-9(8)16)20(14(17)18-10)12-3-5-19-4-1-2-11(12)19/h6-7,11-12H,1-5H2,(H2,17,18).
What are the key properties of 5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine?
5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine has a molecular weight of 339.21 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine is sourced from PubChem (CID 66087861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).